ABINIT Discussion Forums

Dear colleagues,

we are trying to do Bader analyses with AIM. We have calculated the density (following test 56 from v3, from which we have excluded the nkpt 2 in line 6, because abinit murmured about it and ngkpt to be together in the same input file) and used test 57 from v3 as an input file for aim (slightly modified for our system). aim.files file is modified and core files downloaded. But when we run aim, it stops immediately with the message in the log file

err opening input file

We put all the files (aim.in, aim.files, core files and DEN file) in the same dir and started the aim from it. Upon checking the aim.f90, this message regards ivst variable which should be equal to 0. In our case, it seems, that it is not. I'm not sure I understand what this means.
Could someone help me and explain why this happens?

We are using abinis and aim from 5.8.3 version on a linux pc.

Thanks in advance!

Igor Lukacevic

ilukacevic wrote:Dear colleagues,

we are trying to do Bader analyses with AIM. We have calculated the density (following test 56 from v3, from which we have excluded the nkpt 2 in line 6, because abinit murmured about it and ngkpt to be together in the same input file) and used test 57 from v3 as an input file for aim (slightly modified for our system). aim.files file is modified and core files downloaded. But when we run aim, it stops immediately with the message in the log file

err opening input file

We put all the files (aim.in, aim.files, core files and DEN file) in the same dir and started the aim from it. Upon checking the aim.f90, this message regards ivst variable which should be equal to 0. In our case, it seems, that it is not. I'm not sure I understand what this means.
Could someone help me and explain why this happens?

We are using abinis and aim from 5.8.3 version on a linux pc.

Thanks in advance!

Igor Lukacevic

Hi, Igor Lukacevic,

I also got the same problem as yours.
Now thanks to Matthieu and it works well, "AIM can no longer deal with the comments in the aim.files file. Remove them and it works."

Have fun with playing Abinit.

Best,
Naihua